ACCESSION: MSBNK-Keio_Univ-KO004196
RECORD_TITLE: Trimethylsulfonium; LC-ESI-QQ; MS2; CE:10 V; M+
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID T058

CH$NAME: Trimethylsulfonium
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₉S⁺
CH$EXACT_MASS: 77.04250
CH$SMILES: C[S+1](C)C
CH$IUPAC: InChI=1S/C3H9S/c1-4(2)3/h1-3H3/q+1
CH$LINK: CAS 676-84-6
CH$LINK: CHEBI 17434
CH$LINK: KEGG C01008
CH$LINK: NIKKAJI J257.549C
CH$LINK: PUBCHEM SID:4253
CH$LINK: INCHIKEY NRZWQKGABZFFKE-UHFFFAOYSA-N

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 77
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+

PK$SPLASH: splash10-004i-9000000000-cd2a65760dfa79acdb87
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  35.700 64356.5 1
  41.100 3569310.5 8
  59.300 762377.0 2
  60.200 7821790.0 17
  60.900 420792.5 1
  61.900 3896043.5 9
  77.000 449005399.5 999
  78.900 84158.5 1
  92.600 24752.5 1
//